Geometry & MOs

Info

ID:

376007

PubChem CID:

134222007

Reduced:

BrCl2N2O2F3H16C20 (1)

Stoich.:

AB2C2D2E3F16G20 (1)

Weight, g/mol:

542.278072

ΔHf, kcal/mol:

-215.76

Dipole, Da:

3.04

IP(EA), eV:

 -9.72(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(5,8-dimethyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=O)N)Br)C(F)(F)F

DOS

IR

Vibrations